BDBM50341741 3-amino-6-(4-(dimethylcarbamoyl)phenyl)-N-phenylpyrazine-2-carboxamide::CHEMBL1766787::US10479784, Compound I-24::US10961232, Compound I-24

SMILES: CN(C)C(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1ccccc1

InChI Key: InChIKey=ILCARDBCXRGHLG-UHFFFAOYSA-N

Data: 2 KI  4 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50341741   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM50341741 (3-amino-6-(4-(dimethylcarbamoyl)phenyl)-N-phenylpy...) Show SMILES CN(C)C(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C20H19N5O2/c1-25(2)20(27)14-10-8-13(9-11-14)16-12-22-18(21)17(24-16)19(26)23-15-6-4-3-5-7-15/h3-12H,1-2H3,(H2,21,22)(H,23,26)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VERTEX PHARMACEUTICALS INCORPORATED US Patent					Assay Description Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...				US Patent US10479784 (2019) BindingDB Entry DOI: 10.7270/Q2GF0WVD
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM50341741 (3-amino-6-(4-(dimethylcarbamoyl)phenyl)-N-phenylpy...) Show SMILES CN(C)C(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C20H19N5O2/c1-25(2)20(27)14-10-8-13(9-11-14)16-12-22-18(21)17(24-16)19(26)23-15-6-4-3-5-7-15/h3-12H,1-2H3,(H2,21,22)(H,23,26)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VERTEX PHARMACEUTICALS INCORPORATED US Patent					Assay Description Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...				US Patent US10961232 (2021)
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM50341741 (3-amino-6-(4-(dimethylcarbamoyl)phenyl)-N-phenylpy...) Show SMILES CN(C)C(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C20H19N5O2/c1-25(2)20(27)14-10-8-13(9-11-14)16-12-22-18(21)17(24-16)19(26)23-15-6-4-3-5-7-15/h3-12H,1-2H3,(H2,21,22)(H,23,26)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of ATR in human HT-29 cells assessed as hydroxyurea-induced phosphorylation of H2AX by immunofluorescence microscopy				J Med Chem 54: 2320-30 (2011) Article DOI: 10.1021/jm101488z BindingDB Entry DOI: 10.7270/Q2WS8TK6
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM50341741 (3-amino-6-(4-(dimethylcarbamoyl)phenyl)-N-phenylpy...) Show SMILES CN(C)C(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C20H19N5O2/c1-25(2)20(27)14-10-8-13(9-11-14)16-12-22-18(21)17(24-16)19(26)23-15-6-4-3-5-7-15/h3-12H,1-2H3,(H2,21,22)(H,23,26)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of full length recombinant ATR after 24 hrs by radiometric phosphate incorporation assay				J Med Chem 54: 2320-30 (2011) Article DOI: 10.1021/jm101488z BindingDB Entry DOI: 10.7270/Q2WS8TK6
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50341741 (3-amino-6-(4-(dimethylcarbamoyl)phenyl)-N-phenylpy...) Show SMILES CN(C)C(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C20H19N5O2/c1-25(2)20(27)14-10-8-13(9-11-14)16-12-22-18(21)17(24-16)19(26)23-15-6-4-3-5-7-15/h3-12H,1-2H3,(H2,21,22)(H,23,26)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of DNAPK after 2 hrs by radiometric phosphate incorporation assay				J Med Chem 54: 2320-30 (2011) Article DOI: 10.1021/jm101488z BindingDB Entry DOI: 10.7270/Q2WS8TK6
					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50341741 (3-amino-6-(4-(dimethylcarbamoyl)phenyl)-N-phenylpy...) Show SMILES CN(C)C(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C20H19N5O2/c1-25(2)20(27)14-10-8-13(9-11-14)16-12-22-18(21)17(24-16)19(26)23-15-6-4-3-5-7-15/h3-12H,1-2H3,(H2,21,22)(H,23,26)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of full length recombinant ATM after 24 hrs by radiometric phosphate incorporation assay				J Med Chem 54: 2320-30 (2011) Article DOI: 10.1021/jm101488z BindingDB Entry DOI: 10.7270/Q2WS8TK6
					More data for this Ligand-Target Pair